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0\n 2.1177 -4.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33 36 1 0 0 0 0\n 32 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 4 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 11 10 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 14 11 1 0 0 0 0\n 15 14 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 1 0 0 0 0\n 16 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 23 25 1 0 0 0 0\n 23 26 1 0 0 0 0\n 22 27 2 0 0 0 0\n 28 27 1 0 0 0 0\n 28 15 2 0 0 0 0\n 29 28 1 0 0 0 0\n 30 29 1 0 0 0 0\n 9 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 33 35 1 0 0 0 0\n 66 37 2 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 38 43 2 0 0 0 0\n 39 40 1 0 0 0 0\n 39 41 1 0 0 0 0\n 39 42 1 0 0 0 0\n 43 44 1 0 0 0 0\n 43 64 1 0 0 0 0\n 45 44 1 0 0 0 0\n 45 46 1 0 0 0 0\n 45 47 2 0 0 0 0\n 48 45 1 0 0 0 0\n 49 48 1 0 0 0 0\n 49 50 1 0 0 0 0\n 62 49 2 0 0 0 0\n 50 51 1 0 0 0 0\n 50 55 2 0 0 0 0\n 51 52 1 0 0 0 0\n 51 53 1 0 0 0 0\n 51 54 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 61 2 0 0 0 0\n 57 58 1 0 0 0 0\n 57 59 1 0 0 0 0\n 57 60 1 0 0 0 0\n 62 61 1 0 0 0 0\n 63 62 1 0 0 0 0\n 64 63 1 0 0 0 0\n 64 65 2 0 0 0 0\n 65 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 70 1 0 0 0 0\n 67 68 1 0 0 0 0\n 67 69 1 0 0 0 0\nM CHG 4 1 3 2 -1 12 -1 46 -1\nM STY 1 1 MUL\nM SCN 1 1 HT \nM SAL 1 15 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17\nM SAL 1 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32\nM SAL 1 15 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47\nM SAL 1 15 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62\nM SAL 1 8 63 64 65 66 67 68 69 70\nM SPA 1 15 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17\nM SPA 1 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32\nM SPA 1 4 33 34 35 36\nM SDI 1 4 1.4700 -7.2634 1.4700 0.4059\nM SDI 1 4 9.3555 0.4059 9.3555 -7.2634\nM SMT 1 2\nM END", "smiles": "CC(C)(C)c1cc2Cc3cc(cc(c3OP(=O)([O-])Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)c1cc2Cc3cc(cc(c3OP(=O)([O-])Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Al+3].[OH-]", "formula": "2C29H42O4P.Al.HO", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1015.2214", "optical_activity": "NONE", "references": [ "989bfdb2-fbb0-404f-ba5b-74700876dd1c", "1a931d68-7ad5-431a-8c19-789f4fdf3495" ], "stereo_centers": 0 }, "unii": "32S296KGN1" } ] }